5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine

C20H27NO4 — CID 134579235

IUPAC5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine
SMILESCOC1CC(Oc2ccc(C#CC3(OCCOC(C)C)CC3)nc2)C1
InChIInChI=1S/C20H27NO4/c1-15(2)23-10-11-24-20(8-9-20)7-6-16-4-5-17(14-21-16)25-19-12-18(13-19)22-3/h4-5,14-15,18-19H,8-13H2,1-3H3
InChIKeySBCGPEUVTDCJJV-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.96
Rot. Bonds8

About 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine

5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine (PubChem CID 134579235) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine.

Molecular Properties

Compound Name5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine
PubChem CID134579235
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine
SMILESCOC1CC(Oc2ccc(C#CC3(OCCOC(C)C)CC3)nc2)C1
InChIInChI=1S/C20H27NO4/c1-15(2)23-10-11-24-20(8-9-20)7-6-16-4-5-17(14-21-16)25-19-12-18(13-19)22-3/h4-5,14-15,18-19H,8-13H2,1-3H3
InChIKeySBCGPEUVTDCJJV-UHFFFAOYSA-N
XLogP2.96
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine
CID 142389242
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine
CID 138657106
butane;2-(3-butan-2-yloxyprop-1-ynyl)-5-(3-methoxycyclobutyl)oxypyridine;1,2-dimethoxyethane;heptane;N-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]butan-1-amine;1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane;1-[2-(2-methoxyethoxy)ethoxy]propane;1-(2-methoxyethoxy)propane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane;1-methoxypropane;pentane;1-[2-(2-propoxyethoxy)ethoxy]propane;bis(1-(2-propoxyethoxy)propane);1-propoxypropane
CID 167690515
[3-[[6-(5-methoxypent-1-ynyl)-3-pyridinyl]oxy]cyclobutyl]oxy-dimethyl-λ3-iodane
CID 163764565
2-[5-(2,2-dimethylpropoxy)-3,4,4-trimethylpent-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 146180102
2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 134488912
2-[4-[5-[3-[(3Z)-5-bromohexa-1,3,5-trien-2-yl]oxycyclobutyl]oxy-2-pyridinyl]but-3-yn-2-yloxy]ethanol
CID 155584816
2-[4-(4-tert-butylcyclohexyl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 153484488
2-methoxy-N-[[5-(3-methoxycyclohexyl)oxy-2-pyridinyl]methyl]ethanamine
CID 79789241
5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine
CID 165380062
2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 134488920
ethane;3-[[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]oxy]cyclobutan-1-ol
CID 142364770

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine?
The IUPAC name of 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine (CID 134579235) is 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine.
What is the SMILES notation for 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine?
The canonical SMILES for 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine is COC1CC(Oc2ccc(C#CC3(OCCOC(C)C)CC3)nc2)C1.
What is the InChIKey of 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine?
The InChIKey is SBCGPEUVTDCJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-15(2)23-10-11-24-20(8-9-20)7-6-16-4-5-17(14-21-16)25-19-12-18(13-19)22-3/h4-5,14-15,18-19H,8-13H2,1-3H3.
What are the key properties of 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine?
5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine has a molecular weight of 345.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxycyclobutyl)oxy-2-[2-[1-(2-propan-2-yloxyethoxy)cyclopropyl]ethynyl]pyridine is sourced from PubChem (CID 134579235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).